3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

C17H15FN2O2 — CID 110665732

IUPAC3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c18-15-6-4-13(5-7-15)16(21)8-9-20-17(22)14-3-1-2-12(10-14)11-19/h1-7,10,16,21H,8-9H2,(H,20,22)
InChIKeyWASXEVJBMTUGBU-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.55
Rot. Bonds5

About 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 110665732) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID110665732
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c18-15-6-4-13(5-7-15)16(21)8-9-20-17(22)14-3-1-2-12(10-14)11-19/h1-7,10,16,21H,8-9H2,(H,20,22)
InChIKeyWASXEVJBMTUGBU-UHFFFAOYSA-N
XLogP2.55
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665731
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (CID 110665732) is 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is N#Cc1cccc(C(=O)NCCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is WASXEVJBMTUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-15-6-4-13(5-7-15)16(21)8-9-20-17(22)14-3-1-2-12(10-14)11-19/h1-7,10,16,21H,8-9H2,(H,20,22).
What are the key properties of 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 298.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 110665732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).